2-Benzylideneoctanal α-己基肉桂醛

CAS 101-86-0 MFCD00006989

化学结构图

101-86-0
SMILES: CCCCCC/C(C=O)=C\c1ccccc1

化学属性

Mol. FormulaC15H20O
Mol. Weight216.32
Refractive index1.5480 to 1.5510
Boiling Point308.1°C at 760 mmHg
Density0.95
Flash Point113°C
Appearance 淡黄色液体。呈清甜的茉莉似香气，稀释液呈甜的香辛料香味。沸点305℃或174℃(2000Pa)，闪点＞93℃。溶于乙醇(1 m1溶于1 Ml 90%乙醇)、大多数非挥发性油和矿物油，不溶于甘油、丙二醇和水。
Melting PointN/A

别名和识别编码

Chemical Name2-Benzylideneoctanal
MDL NumberMFCD00006989
CAS Number101-86-0
Synonym α-Hexylcinnamaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87571057
EC Number202-983-3
Chemical Name Translationα-己基肉桂醛
Reaxys-RN2502968
Beilstein Registry Number2502968
Wiswesser Line NotationVHY6&U1R
InChIInChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
Canonical SMILESCCCCCC/C(C=O)=C/C1=CC=CC=C1
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分类

  • {SNA} Aldehydes,
  • {SNA} 2009/48/EC (Directive on the Safety of Toys), Aldehyde, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chamomile, Chromatography, Cosmetics & Perfumes, European Community: ISO, DIN and DL 152, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fragrance Allergens in Cosmetic Products, G-L, H, HA -HT, Herbs & Spices, Method and Regulation Specific, Substance Classification
  • {SNA} A-D, Alphabetical Listings, Flavors and Fragrances, G-H, Kosher Certified Product

相关文献及参考

  • Beilstein:7(3)1543
  • Short: EINECS
  • Short: II/5

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
Hazard Codes 8 C C,Xi Xi
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R52/53
  • R53 May cause long-term adverse effects in the aquatic environment 对水生环境有长期的有害作用
UN Number 3265
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGD6560000
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupIII 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,915,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2300 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 55(6),86,1990

其他信息

  • 用途三:α-己基肉桂醛是我国《食品添加剂使用卫生标准》规定允许使用的食品香料，主要用于配制蜂蜜、水果型食用香精和混合型香料。在糖果中使用量为6.5mg/kg；冷饮中2.6mg/kg；烘烤食品中2.4mg/kg；软饮料中0.8mg/kg；布丁类中0.05mg/kg。
  • 图谱信息:alpha-己基肉桂醛(101-86-0)核磁图( 1 HNMR) alpha-己基肉桂醛(101-86-0)质谱(MS) alpha-己基肉桂醛(101-86-0)红外图谱(IR1) alpha-己基肉桂醛(101-86-0)核磁图( 13 CNMR)
  • 参考质量标准一:QB 1467--1992 96% 94% 含醛量/% ≥96 ≥94 酸值 ≤5 ≤5 相对密度d 25 25 0.917～0.923 0.917～0.923 折射率n D 20 1.447~1.450 1.447～1.450 色状 无色黏稠液体 无色黏稠液体 香气 温和新鲜铃兰花香 温和铃兰花香
  • 用途六:该品有茉莉香味，经a-戊基肉桂醛和香味更浓、更稳定。用于肥皂、洗涤剂中。
  • Sigma Aldrich:101-86-0(sigmaaldrich)
  • 方法一:由辛醛与苯甲醛缩合而得。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） α-己基肉桂醛 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 用途四:是配制树兰花油的很好原料。是合成香料中最富有花香的品种之一。又带有愉快的油青气息，与易挥发的花香香料共用，可使之更生动。可用于茉莉
  • MOL 文件:101-86-0.mol
  • 上游原料:苯甲醛 --> 脱硫 --> 甲位戊基桂醛 --> 正辛醛
  • 参考质量标准二:FAO/WHO，1992 相对密度(d 20 20 )0.665~0.687 折射率(n D 20 ) @1.381～1.384 64～70℃馏出物@≥95(V/V) 蒸发残渣@≤0.0005(W/V) 芳香族碳氢化物@≤0.2(V/V) 硫化物@≤5mg/kg 萃取水@中性 铅@≤1mg/kg 紫外吸光度@280~289nm @0.15以下 290~299nm 0.13@以下 300~359nm 0.08@以下 360~400nm@0.02以下
  • TCI Shanghai:a-己基肉桂醛 alpha-Hexylcinnamaldehyde,>;90.0%(GC)(101-86-0)
  • 方法四:由苯甲醛和正辛醛在碱存在下缩合而得。
  • 使用限量:最高允许残留量(mg/kg)：香辛料油树脂为25，酒花抽提物为2.2。可可脂5(FAO/WHO，1994)。
  • 用途一:日用
  • 方法三:由石油分馏所得汽油经接触改质装置得改质油，经脱硫并分馏除去苯等芳香族碳氢化物后再精制而成。
  • 用途二:萃取溶剂。主要用于大豆、米糠、棉籽等各种食用油脂和香辛料中油树脂等的抽提。 GB 2760-96规定为食品加工助剂。
  • 方法二:在碱存在下由正辛醛与苯甲醛缩合得成品。工艺参见α-戊基肉桂醛(22018)
  • 毒性:ADI，62~82℃者以GMP为限(FAO/WHO，2001)。
  • 所属类别二:食品添加剂: 食品加工助剂: 溶剂和助溶剂
  • 用途五:GB 2760--2001规定为允许使用的食品用香料。主要用以配制蜂蜜和水果型香精及混合香辛料。
  • alpha-己基肉桂醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0685 α-己基肉桂醛 alpha-Hexylcinnamaldehyde 500ML 662元 2014/06/02 H0685 α-己基肉桂醛 alpha-Hexylcinnamaldehyde 25ML 239元
  • 所属类别一:食品添加剂: 食品香料

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. G-H - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C13-C60 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C10 to C21

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